V004-5026 Screening compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

V004-5026 Screening compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
V004-5026 Screening compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5026
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V004-5026

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

N-(2,3-dihydro-1H-inden-2-yl)-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-(23-dihydro-1H-inden-2-yl)-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

C=CCN(c(cccc1)c1S/C1=C/C(NC(C2)Cc3c2cccc3)=O)C1=O

InChI

InChI=1S/C22H20N2O2S/c1-2-11-24-18-9-5-6-10-19(18)27-20(22(24)26)14-21(25)23-17-12-15-7-3-4-8-16(15)13-17/h2-10,14,17H,1,11-13H2,(H,23,25)

InChI Key

FPDSFZCCUXOMEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.41

Polar Surface Area

39.611

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V004-5026 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-5026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5026?
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What is the minimum amount of V004-5026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5026
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V004-5026 available by request